1-[(3-methylphenyl)methyl]piperazine;dihydrochloride

C12H20Cl2N2 — CID 3014358

IUPAC1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
SMILESCc1cccc(CN2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C12H18N2.2ClH/c1-11-3-2-4-12(9-11)10-14-7-5-13-6-8-14;;/h2-4,9,13H,5-8,10H2,1H3;2*1H
InChIKeyPCGNLSMZOLZUAD-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.24
Rot. Bonds2

About 1-[(3-methylphenyl)methyl]piperazine;dihydrochloride

1-[(3-methylphenyl)methyl]piperazine;dihydrochloride (PubChem CID 3014358) has the molecular formula C12H20Cl2N2 and a molecular weight of 263.21 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
PubChem CID3014358
Molecular FormulaC12H20Cl2N2
Molecular Weight263.21 g/mol
Exact Mass262.10
IUPAC Name1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
SMILESCc1cccc(CN2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C12H18N2.2ClH/c1-11-3-2-4-12(9-11)10-14-7-5-13-6-8-14;;/h2-4,9,13H,5-8,10H2,1H3;2*1H
InChIKeyPCGNLSMZOLZUAD-UHFFFAOYSA-N
XLogP2.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 82092036
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
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1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
3-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64834386
[3-(piperazin-1-ylmethyl)phenyl]methanol
CID 23023149
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine
CID 115230156
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 2842776
1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine
CID 45366485
azane;1-benzylpiperazine
CID 174866973
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 22195536

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(3-methylphenyl)methyl]piperazine;dihydrochloride (CID 3014358) is 1-[(3-methylphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(3-methylphenyl)methyl]piperazine;dihydrochloride is Cc1cccc(CN2CCNCC2)c1.Cl.Cl.
What is the InChIKey of 1-[(3-methylphenyl)methyl]piperazine;dihydrochloride?
The InChIKey is PCGNLSMZOLZUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.2ClH/c1-11-3-2-4-12(9-11)10-14-7-5-13-6-8-14;;/h2-4,9,13H,5-8,10H2,1H3;2*1H.
What are the key properties of 1-[(3-methylphenyl)methyl]piperazine;dihydrochloride?
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride has a molecular weight of 263.21 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 3014358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).